CID 766535

3-[(4-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H13NO5S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H13NO5S/c1-20-12-7-5-11(6-8-12)15-21(18,19)13-4-2-3-10(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKey
LHWPHUNFEGTNIZ-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05873 165.7
[M+Na]+ 330.04067 172.9
[M-H]- 306.04417 171.5
[M+NH4]+ 325.08527 179.5
[M+K]+ 346.01461 169.3
[M+H-H2O]+ 290.04871 158.3
[M+HCOO]- 352.04965 183.3
[M+CH3COO]- 366.06530 200.0
[M+Na-2H]- 328.02612 169.8
[M]+ 307.05090 169.0
[M]- 307.05200 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.